CID 57417161

C3H6NO — CID 57417161

IUPAC—
SMILES[CH]1NCCO1
InChIInChI=1S/C3H6NO/c1-2-5-3-4-1/h3-4H,1-2H2
InChIKeyPSSYKPTXCQBPTJ-UHFFFAOYSA-N
MW72.09 g/mol
LogP-0.27
Rot. Bonds

About CID 57417161

CID 57417161 (PubChem CID 57417161) has the molecular formula C3H6NO and a molecular weight of 72.09 g/mol.

Molecular Properties

Compound NameCID 57417161
PubChem CID57417161
Molecular FormulaC3H6NO
Molecular Weight72.09 g/mol
Exact Mass72.04
IUPAC Name—
SMILES[CH]1NCCO1
InChIInChI=1S/C3H6NO/c1-2-5-3-4-1/h3-4H,1-2H2
InChIKeyPSSYKPTXCQBPTJ-UHFFFAOYSA-N
XLogP-0.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxazolidine
CID 536683
2-Oxazolidinethione
CID 2733223
2-Methyl-1,3-oxazolidine
CID 544812
2-Aminooxazolidine
CID 5249496
Thiooxazolidine
CID 21248213
2-Chloro-1,3-oxazolidine
CID 67400944
Oxazolidinylphosphine
CID 69863980
3-Oxazolidinium chloride
CID 70516418
Oxazolidinium bromide
CID 129786065
Oxazolidinium iodide
CID 129813257
2-Fluoro-1,3-oxazolidine
CID 21916574
5-Fluoro-1,3-oxazolidine
CID 153951546

Frequently Asked Questions

What is the IUPAC name of CID 57417161?
The IUPAC name of CID 57417161 (CID 57417161) is not available.
What is the SMILES notation for CID 57417161?
The canonical SMILES for CID 57417161 is [CH]1NCCO1.
What is the InChIKey of CID 57417161?
The InChIKey is PSSYKPTXCQBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO/c1-2-5-3-4-1/h3-4H,1-2H2.
What are the key properties of CID 57417161?
CID 57417161 has a molecular weight of 72.09 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417161 is sourced from PubChem (CID 57417161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).